N-[(2S)-1-[4-(4-methylquinolin-1-ium-2-yl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl]-3-phenyl-2,1-benzoxazole-5-carboxamide

Systemtic Name: N-[(2S)-1-[4-(4-methylquinolin-1-ium-2-yl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl]-3-phenyl-2,1-benzoxazole-5-carboxamide Openeye Name: N-[(1S)-1-methyl-2-[4-(4-methylquinolin-1-ium-2-yl)piperazin-1-yl]-2-oxo-ethyl]-3-phenyl-2,1-benzoxazole-5-carboxamide CAS Name: N-[(2S)-1-[4-(4-methyl-2-quinolin-1-iumyl)-1-piperazinyl]-1-oxopropan-2-yl]-3-phenyl-2,1-benzoxazole-5-carboxamide IUPAC Name: N-[(2S)-1-[4-(4-methylquinolin-1-ium-2-yl)piperazin-1-yl]-1-oxopropan-2-yl]-3-phenyl-2,1-benzoxazole-5-carboxamide Traditional Name: N-[(1S)-2-keto-1-methyl-2-[4-(4-methylquinolin-1-ium-2-yl)piperazino]ethyl]-3-phenyl-anthranil-5-carboxamide Formula: C31H30N5O3+ MolecularWeight: 520.6016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C2=CC=CC=C12)N3CCN(CC3)C(=O)C(C)NC(=O)C4=CC5=C(ON=C5C=C4)C6=CC=CC=C6

Isomeric SMILES

CC1=CC(=[NH+]C2=CC=CC=C12)N3CCN(CC3)C(=O)[C@H](C)NC(=O)C4=CC5=C(ON=C5C=C4)C6=CC=CC=C6

InChI

InChI=1S/C31H29N5O3/c1-20-18-28(33-26-11-7-6-10-24(20)26)35-14-16-36(17-15-35)31(38)21(2)32-30(37)23-12-13-27-25(19-23)29(39-34-27)22-8-4-3-5-9-22/h3-13,18-19,21H,14-17H2,1-2H3,(H,32,37)/p+1/t21-/m0/s1