1-[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-3-(2-methyl-1H-imidazol-3-ium-3-yl)propan-1-one

Systemtic Name: 1-[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-3-(2-methyl-1H-imidazol-3-ium-3-yl)propan-1-one Openeye Name: 1-[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-1-piperidyl]-3-(2-methyl-1H-imidazol-3-ium-3-yl)propan-1-one CAS Name: 1-[(3S)-3-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]-3-(2-methyl-1H-imidazol-3-ium-3-yl)-1-propanone IUPAC Name: 1-[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-3-(2-methyl-1H-imidazol-3-ium-3-yl)propan-1-one Traditional Name: 1-[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]piperidino]-3-(2-methyl-1H-imidazol-3-ium-3-yl)propan-1-one Formula: C23H35N5O2+2 MolecularWeight: 413.5563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=CN1)CCC(=O)N2CCCC(C2)[NH+]3CCN(CC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=[N+](C=CN1)CCC(=O)N2CCC[C@@H](C2)[NH+]3CCN(CC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C23H33N5O2/c1-19-24-10-13-25(19)12-9-23(29)28-11-3-4-21(18-28)27-16-14-26(15-17-27)20-5-7-22(30-2)8-6-20/h5-8,10,13,21H,3-4,9,11-12,14-18H2,1-2H3/p+2/t21-/m0/s1