azepan-1-yl-[(3S)-1-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperidin-3-yl]methanone

Systemtic Name: azepan-1-yl-[(3S)-1-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperidin-3-yl]methanone Openeye Name: azepan-1-yl-[(3S)-1-(1-benzylpiperidin-1-ium-4-yl)-3-piperidyl]methanone CAS Name: 1-azepanyl-[(3S)-1-[1-(phenylmethyl)-4-piperidin-1-iumyl]-3-piperidinyl]methanone IUPAC Name: azepan-1-yl-[(3S)-1-(1-benzylpiperidin-1-ium-4-yl)piperidin-3-yl]methanone Traditional Name: azepan-1-yl-[(3S)-1-(1-benzylpiperidin-1-ium-4-yl)-3-piperidyl]methanone Formula: C24H38N3O+ MolecularWeight: 384.57802

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCCN(C2)C3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)[C@H]2CCCN(C2)C3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H37N3O/c28-24(26-14-6-1-2-7-15-26)22-11-8-16-27(20-22)23-12-17-25(18-13-23)19-21-9-4-3-5-10-21/h3-5,9-10,22-23H,1-2,6-8,11-20H2/p+1/t22-/m0/s1