5-methoxy-1-methyl-N-[(2S)-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-2-yl]indole-2-carboxamide

Systemtic Name: 5-methoxy-1-methyl-N-[(2S)-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-2-yl]indole-2-carboxamide Openeye Name: N-[(1S)-2-(4-benzylpiperazin-4-ium-1-yl)-1-methyl-2-oxo-ethyl]-5-methoxy-1-methyl-indole-2-carboxamide CAS Name: 5-methoxy-1-methyl-N-[(2S)-1-oxo-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]propan-2-yl]-2-indolecarboxamide IUPAC Name: N-[(2S)-1-(4-benzylpiperazin-4-ium-1-yl)-1-oxopropan-2-yl]-5-methoxy-1-methylindole-2-carboxamide Traditional Name: N-[(1S)-2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-1-methyl-ethyl]-5-methoxy-1-methyl-indole-2-carboxamide Formula: C25H31N4O3+ MolecularWeight: 435.53864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)NC(=O)C3=CC4=C(N3C)C=CC(=C4)OC

Isomeric SMILES

C[C@@H](C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)NC(=O)C3=CC4=C(N3C)C=CC(=C4)OC

InChI

InChI=1S/C25H30N4O3/c1-18(25(31)29-13-11-28(12-14-29)17-19-7-5-4-6-8-19)26-24(30)23-16-20-15-21(32-3)9-10-22(20)27(23)2/h4-10,15-16,18H,11-14,17H2,1-3H3,(H,26,30)/p+1/t18-/m0/s1