N-[(1R)-1-cyclopropylethyl]-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(1R)-1-cyclopropylethyl]-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(1R)-1-cyclopropylethyl]-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-[(1R)-1-cyclopropylethyl]-2-[4-(4-methoxyphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(1R)-1-cyclopropylethyl]-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-[(1R)-1-cyclopropylethyl]-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C18H28N3O4S+ MolecularWeight: 382.49762

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CC1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

C[C@H](C1CC1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C18H27N3O4S/c1-14(15-3-4-15)19-18(22)13-20-9-11-21(12-10-20)26(23,24)17-7-5-16(25-2)6-8-17/h5-8,14-15H,3-4,9-13H2,1-2H3,(H,19,22)/p+1/t14-/m1/s1