2-(azepan-1-ium-1-yl)-1-[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]ethanone

Systemtic Name: 2-(azepan-1-ium-1-yl)-1-[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]ethanone Openeye Name: 2-(azepan-1-ium-1-yl)-1-[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-1-piperidyl]ethanone CAS Name: 2-(1-azepan-1-iumyl)-1-[(3S)-3-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]ethanone IUPAC Name: 2-(azepan-1-ium-1-yl)-1-[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]ethanone Traditional Name: 2-(azepan-1-ium-1-yl)-1-[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]piperidino]ethanone Formula: C24H40N4O2+2 MolecularWeight: 416.6

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)C3CCCN(C3)C(=O)C[NH+]4CCCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)[C@H]3CCCN(C3)C(=O)C[NH+]4CCCCCC4

InChI

InChI=1S/C24H38N4O2/c1-30-23-10-8-21(9-11-23)26-15-17-27(18-16-26)22-7-6-14-28(19-22)24(29)20-25-12-4-2-3-5-13-25/h8-11,22H,2-7,12-20H2,1H3/p+2/t22-/m0/s1