(3S)-N-(cyclopropylmethyl)-1-[1-(phenylmethyl)piperidin-1-ium-4-yl]-N-propyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-(cyclopropylmethyl)-1-[1-(phenylmethyl)piperidin-1-ium-4-yl]-N-propyl-piperidine-3-carboxamide Openeye Name: (3S)-1-(1-benzylpiperidin-1-ium-4-yl)-N-(cyclopropylmethyl)-N-propyl-piperidine-3-carboxamide CAS Name: (3S)-N-(cyclopropylmethyl)-1-[1-(phenylmethyl)-4-piperidin-1-iumyl]-N-propyl-3-piperidinecarboxamide IUPAC Name: (3S)-1-(1-benzylpiperidin-1-ium-4-yl)-N-(cyclopropylmethyl)-N-propylpiperidine-3-carboxamide Traditional Name: (3S)-1-(1-benzylpiperidin-1-ium-4-yl)-N-(cyclopropylmethyl)-N-propyl-nipecotamide Formula: C25H40N3O+ MolecularWeight: 398.6046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1CC1)C(=O)C2CCCN(C2)C3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CCCN(CC1CC1)C(=O)[C@H]2CCCN(C2)C3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H39N3O/c1-2-14-28(19-22-10-11-22)25(29)23-9-6-15-27(20-23)24-12-16-26(17-13-24)18-21-7-4-3-5-8-21/h3-5,7-8,22-24H,2,6,9-20H2,1H3/p+1/t23-/m0/s1