[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-[1-(2-methylphenyl)carbonylpiperidin-4-yl]methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-[1-(2-methylphenyl)carbonylpiperidin-4-yl]methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-[1-(2-methylbenzoyl)-4-piperidyl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-[1-[(2-methylphenyl)-oxomethyl]-4-piperidinyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-[1-(2-methylbenzoyl)piperidin-4-yl]methanone Traditional Name: (1-o-toluoyl-4-piperidyl)-(4-piperonylpiperazin-4-ium-1-yl)methanone Formula: C26H32N3O4+ MolecularWeight: 450.54998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H31N3O4/c1-19-4-2-3-5-22(19)26(31)28-10-8-21(9-11-28)25(30)29-14-12-27(13-15-29)17-20-6-7-23-24(16-20)33-18-32-23/h2-7,16,21H,8-15,17-18H2,1H3/p+1