azepan-1-yl-[1-[(4-phenylphenyl)methyl]piperidin-1-ium-4-yl]methanone

Systemtic Name: azepan-1-yl-[1-[(4-phenylphenyl)methyl]piperidin-1-ium-4-yl]methanone Openeye Name: azepan-1-yl-[1-[(4-phenylphenyl)methyl]piperidin-1-ium-4-yl]methanone CAS Name: 1-azepanyl-[1-[(4-phenylphenyl)methyl]-4-piperidin-1-iumyl]methanone IUPAC Name: azepan-1-yl-[1-[(4-phenylphenyl)methyl]piperidin-1-ium-4-yl]methanone Traditional Name: azepan-1-yl-[1-(4-phenylbenzyl)piperidin-1-ium-4-yl]methanone Formula: C25H33N2O+ MolecularWeight: 377.54232

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CC3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CC3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H32N2O/c28-25(27-16-6-1-2-7-17-27)24-14-18-26(19-15-24)20-21-10-12-23(13-11-21)22-8-4-3-5-9-22/h3-5,8-13,24H,1-2,6-7,14-20H2/p+1