(3S)-N-(3,3-diphenylpropyl)-1-(2-morpholin-4-ium-4-ylethyl)-6-oxidanylidene-piperidine-3-carboxamide

Systemtic Name: (3S)-N-(3,3-diphenylpropyl)-1-(2-morpholin-4-ium-4-ylethyl)-6-oxidanylidene-piperidine-3-carboxamide Openeye Name: (3S)-N-(3,3-diphenylpropyl)-1-(2-morpholin-4-ium-4-ylethyl)-6-oxo-piperidine-3-carboxamide CAS Name: (3S)-N-(3,3-diphenylpropyl)-1-[2-(4-morpholin-4-iumyl)ethyl]-6-oxo-3-piperidinecarboxamide IUPAC Name: (3S)-N-(3,3-diphenylpropyl)-1-(2-morpholin-4-ium-4-ylethyl)-6-oxopiperidine-3-carboxamide Traditional Name: (3S)-N-(3,3-diphenylpropyl)-6-keto-1-(2-morpholin-4-ium-4-ylethyl)nipecotamide Formula: C27H36N3O3+ MolecularWeight: 450.59304

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(CC1C(=O)NCCC(C2=CC=CC=C2)C3=CC=CC=C3)CC[NH+]4CCOCC4

Isomeric SMILES

C1CC(=O)N(C[C@H]1C(=O)NCCC(C2=CC=CC=C2)C3=CC=CC=C3)CC[NH+]4CCOCC4

InChI

InChI=1S/C27H35N3O3/c31-26-12-11-24(21-30(26)16-15-29-17-19-33-20-18-29)27(32)28-14-13-25(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-10,24-25H,11-21H2,(H,28,32)/p+1/t24-/m0/s1