3-(4-methylpiperazin-4-ium-1-yl)-1-[(3S)-3-[(4-propan-2-ylphenyl)amino]piperidin-1-yl]propan-1-one

Systemtic Name: 3-(4-methylpiperazin-4-ium-1-yl)-1-[(3S)-3-[(4-propan-2-ylphenyl)amino]piperidin-1-yl]propan-1-one Openeye Name: 1-[(3S)-3-(4-isopropylanilino)-1-piperidyl]-3-(4-methylpiperazin-4-ium-1-yl)propan-1-one CAS Name: 3-(4-methyl-1-piperazin-4-iumyl)-1-[(3S)-3-(4-propan-2-ylanilino)-1-piperidinyl]-1-propanone IUPAC Name: 3-(4-methylpiperazin-4-ium-1-yl)-1-[(3S)-3-(4-propan-2-ylanilino)piperidin-1-yl]propan-1-one Traditional Name: 1-[(3S)-3-cumidinopiperidino]-3-(4-methylpiperazin-4-ium-1-yl)propan-1-one Formula: C22H37N4O+ MolecularWeight: 373.55538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC2CCCN(C2)C(=O)CCN3CC[NH+](CC3)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)N[C@H]2CCCN(C2)C(=O)CCN3CC[NH+](CC3)C

InChI

InChI=1S/C22H36N4O/c1-18(2)19-6-8-20(9-7-19)23-21-5-4-11-26(17-21)22(27)10-12-25-15-13-24(3)14-16-25/h6-9,18,21,23H,4-5,10-17H2,1-3H3/p+1/t21-/m0/s1