(3S)-N-[(2-imidazol-1-ylphenyl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)-6-oxidanylidene-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[(2-imidazol-1-ylphenyl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)-6-oxidanylidene-piperidine-3-carboxamide Openeye Name: (3S)-N-[(2-imidazol-1-ylphenyl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)-6-oxo-piperidine-3-carboxamide CAS Name: (3S)-N-[[2-(1-imidazolyl)phenyl]methyl]-1-[2-(4-morpholin-4-iumyl)ethyl]-6-oxo-3-piperidinecarboxamide IUPAC Name: (3S)-N-[(2-imidazol-1-ylphenyl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)-6-oxopiperidine-3-carboxamide Traditional Name: (3S)-N-(2-imidazol-1-ylbenzyl)-6-keto-1-(2-morpholin-4-ium-4-ylethyl)nipecotamide Formula: C22H30N5O3+ MolecularWeight: 412.5053

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(CC1C(=O)NCC2=CC=CC=C2N3C=CN=C3)CC[NH+]4CCOCC4

Isomeric SMILES

C1CC(=O)N(C[C@H]1C(=O)NCC2=CC=CC=C2N3C=CN=C3)CC[NH+]4CCOCC4

InChI

InChI=1S/C22H29N5O3/c28-21-6-5-19(16-26(21)10-9-25-11-13-30-14-12-25)22(29)24-15-18-3-1-2-4-20(18)27-8-7-23-17-27/h1-4,7-8,17,19H,5-6,9-16H2,(H,24,29)/p+1/t19-/m0/s1