azepan-1-yl-[1-[(7-methoxy-2-oxidanyl-naphthalen-1-yl)methyl]piperidin-1-ium-4-yl]methanone

Systemtic Name: azepan-1-yl-[1-[(7-methoxy-2-oxidanyl-naphthalen-1-yl)methyl]piperidin-1-ium-4-yl]methanone Openeye Name: azepan-1-yl-[1-[(2-hydroxy-7-methoxy-1-naphthyl)methyl]piperidin-1-ium-4-yl]methanone CAS Name: 1-azepanyl-[1-[(2-hydroxy-7-methoxy-1-naphthalenyl)methyl]-4-piperidin-1-iumyl]methanone IUPAC Name: azepan-1-yl-[1-[(2-hydroxy-7-methoxynaphthalen-1-yl)methyl]piperidin-1-ium-4-yl]methanone Traditional Name: azepan-1-yl-[1-[(2-hydroxy-7-methoxy-1-naphthyl)methyl]piperidin-1-ium-4-yl]methanone Formula: C24H33N2O3+ MolecularWeight: 397.53042

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=CC(=C2C[NH+]3CCC(CC3)C(=O)N4CCCCCC4)O

Isomeric SMILES

COC1=CC2=C(C=C1)C=CC(=C2C[NH+]3CCC(CC3)C(=O)N4CCCCCC4)O

InChI

InChI=1S/C24H32N2O3/c1-29-20-8-6-18-7-9-23(27)22(21(18)16-20)17-25-14-10-19(11-15-25)24(28)26-12-4-2-3-5-13-26/h6-9,16,19,27H,2-5,10-15,17H2,1H3/p+1