(3S)-N-[(5-chloranyl-1H-indol-2-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)-6-oxidanylidene-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[(5-chloranyl-1H-indol-2-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)-6-oxidanylidene-piperidine-3-carboxamide Openeye Name: (3S)-N-[(5-chloro-1H-indol-2-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)-6-oxo-piperidine-3-carboxamide CAS Name: (3S)-N-[(5-chloro-1H-indol-2-yl)methyl]-1-[3-(4-morpholin-4-iumyl)propyl]-6-oxo-3-piperidinecarboxamide IUPAC Name: (3S)-N-[(5-chloro-1H-indol-2-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)-6-oxopiperidine-3-carboxamide Traditional Name: (3S)-N-[(5-chloro-1H-indol-2-yl)methyl]-6-keto-1-(3-morpholin-4-ium-4-ylpropyl)nipecotamide Formula: C22H30ClN4O3+ MolecularWeight: 433.9516

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(CC1C(=O)NCC2=CC3=C(N2)C=CC(=C3)Cl)CCC[NH+]4CCOCC4

Isomeric SMILES

C1CC(=O)N(C[C@H]1C(=O)NCC2=CC3=C(N2)C=CC(=C3)Cl)CCC[NH+]4CCOCC4

InChI

InChI=1S/C22H29ClN4O3/c23-18-3-4-20-17(12-18)13-19(25-20)14-24-22(29)16-2-5-21(28)27(15-16)7-1-6-26-8-10-30-11-9-26/h3-4,12-13,16,25H,1-2,5-11,14-15H2,(H,24,29)/p+1/t16-/m0/s1