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

Systemtic Name: (4-ethylpiperazin-4-ium-1-yl)-[1-(3-phenylpropylsulfonyl)piperidin-4-yl]methanone Openeye Name: (4-ethylpiperazin-4-ium-1-yl)-[1-(3-phenylpropylsulfonyl)-4-piperidyl]methanone CAS Name: (4-ethyl-1-piperazin-4-iumyl)-[1-(3-phenylpropylsulfonyl)-4-piperidinyl]methanone IUPAC Name: (4-ethylpiperazin-4-ium-1-yl)-[1-(3-phenylpropylsulfonyl)piperidin-4-yl]methanone Traditional Name: (4-ethylpiperazin-4-ium-1-yl)-[1-(3-phenylpropylsulfonyl)-4-piperidyl]methanone Formula: C21H34N3O3S+ MolecularWeight: 408.57796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33N3O3S/c1-2-22-14-16-23(17-15-22)21(25)20-10-12-24(13-11-20)28(26,27)18-6-9-19-7-4-3-5-8-19/h3-5,7-8,20H,2,6,9-18H2,1H3/p+1