(3S)-1-(5-methylthiophen-2-yl)sulfonyl-N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]piperidine-3-carboxamide

Systemtic Name: (3S)-1-(5-methylthiophen-2-yl)sulfonyl-N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]piperidine-3-carboxamide Openeye Name: (3S)-1-[(5-methyl-2-thienyl)sulfonyl]-N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]piperidine-3-carboxamide CAS Name: (3S)-1-[(5-methyl-2-thiophenyl)sulfonyl]-N-[[2-(1-pyrrolidinyl)-4-pyridin-1-iumyl]methyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(5-methylthiophen-2-yl)sulfonyl-N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]piperidine-3-carboxamide Traditional Name: (3S)-1-[(5-methyl-2-thienyl)sulfonyl]-N-[(2-pyrrolidinopyridin-1-ium-4-yl)methyl]nipecotamide Formula: C21H29N4O3S2+ MolecularWeight: 449.60996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC(=[NH+]C=C3)N4CCCC4

Isomeric SMILES

CC1=CC=C(S1)S(=O)(=O)N2CCC[C@@H](C2)C(=O)NCC3=CC(=[NH+]C=C3)N4CCCC4

InChI

InChI=1S/C21H28N4O3S2/c1-16-6-7-20(29-16)30(27,28)25-12-4-5-18(15-25)21(26)23-14-17-8-9-22-19(13-17)24-10-2-3-11-24/h6-9,13,18H,2-5,10-12,14-15H2,1H3,(H,23,26)/p+1/t18-/m0/s1