1-(azepan-1-yl)-2-[4-[(2-oxidanylnaphthalen-1-yl)methyl]piperazine-1,4-diium-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-[(2-oxidanylnaphthalen-1-yl)methyl]piperazine-1,4-diium-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-[(2-hydroxy-1-naphthyl)methyl]piperazine-1,4-diium-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-[(2-hydroxy-1-naphthalenyl)methyl]-1-piperazine-1,4-diiumyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-[(2-hydroxynaphthalen-1-yl)methyl]piperazine-1,4-diium-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-[(2-hydroxy-1-naphthyl)methyl]piperazine-1,4-diium-1-yl]ethanone Formula: C23H33N3O2+2 MolecularWeight: 383.52702

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C[NH+]2CC[NH+](CC2)CC3=C(C=CC4=CC=CC=C43)O

Isomeric SMILES

C1CCCN(CC1)C(=O)C[NH+]2CC[NH+](CC2)CC3=C(C=CC4=CC=CC=C43)O

InChI

InChI=1S/C23H31N3O2/c27-22-10-9-19-7-3-4-8-20(19)21(22)17-24-13-15-25(16-14-24)18-23(28)26-11-5-1-2-6-12-26/h3-4,7-10,27H,1-2,5-6,11-18H2/p+2