1-[(3S)-3-[(4-methoxyphenyl)amino]piperidin-1-yl]-3-(4-methylpiperazin-4-ium-1-yl)propan-1-one

Systemtic Name: 1-[(3S)-3-[(4-methoxyphenyl)amino]piperidin-1-yl]-3-(4-methylpiperazin-4-ium-1-yl)propan-1-one Openeye Name: 1-[(3S)-3-(4-methoxyanilino)-1-piperidyl]-3-(4-methylpiperazin-4-ium-1-yl)propan-1-one CAS Name: 1-[(3S)-3-(4-methoxyanilino)-1-piperidinyl]-3-(4-methyl-1-piperazin-4-iumyl)-1-propanone IUPAC Name: 1-[(3S)-3-(4-methoxyanilino)piperidin-1-yl]-3-(4-methylpiperazin-4-ium-1-yl)propan-1-one Traditional Name: 3-(4-methylpiperazin-4-ium-1-yl)-1-[(3S)-3-(p-anisidino)piperidino]propan-1-one Formula: C20H33N4O2+ MolecularWeight: 361.50162

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CCC(=O)N2CCCC(C2)NC3=CC=C(C=C3)OC

Isomeric SMILES

C[NH+]1CCN(CC1)CCC(=O)N2CCC[C@@H](C2)NC3=CC=C(C=C3)OC

InChI

InChI=1S/C20H32N4O2/c1-22-12-14-23(15-13-22)11-9-20(25)24-10-3-4-18(16-24)21-17-5-7-19(26-2)8-6-17/h5-8,18,21H,3-4,9-16H2,1-2H3/p+1/t18-/m0/s1