azepan-1-yl-[1-[(4-chloranyl-1-oxidanyl-naphthalen-2-yl)methyl]piperidin-1-ium-4-yl]methanone

Systemtic Name: azepan-1-yl-[1-[(4-chloranyl-1-oxidanyl-naphthalen-2-yl)methyl]piperidin-1-ium-4-yl]methanone Openeye Name: azepan-1-yl-[1-[(4-chloro-1-hydroxy-2-naphthyl)methyl]piperidin-1-ium-4-yl]methanone CAS Name: 1-azepanyl-[1-[(4-chloro-1-hydroxy-2-naphthalenyl)methyl]-4-piperidin-1-iumyl]methanone IUPAC Name: azepan-1-yl-[1-[(4-chloro-1-hydroxynaphthalen-2-yl)methyl]piperidin-1-ium-4-yl]methanone Traditional Name: azepan-1-yl-[1-[(4-chloro-1-hydroxy-2-naphthyl)methyl]piperidin-1-ium-4-yl]methanone Formula: C23H30ClN2O2+ MolecularWeight: 401.9495

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CC3=C(C4=CC=CC=C4C(=C3)Cl)O

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CC3=C(C4=CC=CC=C4C(=C3)Cl)O

InChI

InChI=1S/C23H29ClN2O2/c24-21-15-18(22(27)20-8-4-3-7-19(20)21)16-25-13-9-17(10-14-25)23(28)26-11-5-1-2-6-12-26/h3-4,7-8,15,17,27H,1-2,5-6,9-14,16H2/p+1