(4-methoxy-3-methyl-phenyl)-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methanone

Systemtic Name: (4-methoxy-3-methyl-phenyl)-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methanone Openeye Name: (4-methoxy-3-methyl-phenyl)-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-1-piperidyl]methanone CAS Name: (4-methoxy-3-methylphenyl)-[(3S)-3-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]methanone IUPAC Name: (4-methoxy-3-methylphenyl)-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methanone Traditional Name: (4-methoxy-3-methyl-phenyl)-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidino]methanone Formula: C25H34N3O3+ MolecularWeight: 424.55576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N2CCCC(C2)[NH+]3CCN(CC3)C4=CC=CC=C4OC)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N2CCC[C@@H](C2)[NH+]3CCN(CC3)C4=CC=CC=C4OC)OC

InChI

InChI=1S/C25H33N3O3/c1-19-17-20(10-11-23(19)30-2)25(29)28-12-6-7-21(18-28)26-13-15-27(16-14-26)22-8-4-5-9-24(22)31-3/h4-5,8-11,17,21H,6-7,12-16,18H2,1-3H3/p+1/t21-/m0/s1