N-[(2S)-1-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-2-methyl-benzamide

Systemtic Name: N-[(2S)-1-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-2-methyl-benzamide Openeye Name: N-[(1S)-1-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamoyl]-3-methyl-butyl]-2-methyl-benzamide CAS Name: N-[(2S)-1-[4-(4-ethyl-1-piperazin-4-iumyl)anilino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide IUPAC Name: N-[(2S)-1-[4-(4-ethylpiperazin-4-ium-1-yl)anilino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide Traditional Name: N-[(1S)-1-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamoyl]-3-methyl-butyl]-2-methyl-benzamide Formula: C26H37N4O2+ MolecularWeight: 437.59758

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C(CC(C)C)NC(=O)C3=CC=CC=C3C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)[C@H](CC(C)C)NC(=O)C3=CC=CC=C3C

InChI

InChI=1S/C26H36N4O2/c1-5-29-14-16-30(17-15-29)22-12-10-21(11-13-22)27-26(32)24(18-19(2)3)28-25(31)23-9-7-6-8-20(23)4/h6-13,19,24H,5,14-18H2,1-4H3,(H,27,32)(H,28,31)/p+1/t24-/m0/s1