1-(azepan-1-yl)-2-[4-[(7-methoxy-2-oxidanyl-naphthalen-1-yl)methyl]piperazine-1,4-diium-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-[(7-methoxy-2-oxidanyl-naphthalen-1-yl)methyl]piperazine-1,4-diium-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-[(2-hydroxy-7-methoxy-1-naphthyl)methyl]piperazine-1,4-diium-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-[(2-hydroxy-7-methoxy-1-naphthalenyl)methyl]-1-piperazine-1,4-diiumyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-[(2-hydroxy-7-methoxynaphthalen-1-yl)methyl]piperazine-1,4-diium-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-[(2-hydroxy-7-methoxy-1-naphthyl)methyl]piperazine-1,4-diium-1-yl]ethanone Formula: C24H35N3O3+2 MolecularWeight: 413.553

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33N3O3/c1-30-20-8-6-19-7-9-23(28)22(21(19)16-20)17-25-12-14-26(15-13-25)18-24(29)27-10-4-2-3-5-11-27/h6-9,16,28H,2-5,10-15,17-18H2,1H3/p+2