(4-methylpiperazin-4-ium-1-yl)-[1-(3-phenylpropylsulfonyl)piperidin-4-yl]methanone

Systemtic Name: (4-methylpiperazin-4-ium-1-yl)-[1-(3-phenylpropylsulfonyl)piperidin-4-yl]methanone Openeye Name: (4-methylpiperazin-4-ium-1-yl)-[1-(3-phenylpropylsulfonyl)-4-piperidyl]methanone CAS Name: (4-methyl-1-piperazin-4-iumyl)-[1-(3-phenylpropylsulfonyl)-4-piperidinyl]methanone IUPAC Name: (4-methylpiperazin-4-ium-1-yl)-[1-(3-phenylpropylsulfonyl)piperidin-4-yl]methanone Traditional Name: (4-methylpiperazin-4-ium-1-yl)-[1-(3-phenylpropylsulfonyl)-4-piperidyl]methanone Formula: C20H32N3O3S+ MolecularWeight: 394.55138

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)CCCC3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)CCCC3=CC=CC=C3

InChI

InChI=1S/C20H31N3O3S/c1-21-13-15-22(16-14-21)20(24)19-9-11-23(12-10-19)27(25,26)17-5-8-18-6-3-2-4-7-18/h2-4,6-7,19H,5,8-17H2,1H3/p+1