1-methyl-N-[(3S)-3-methyl-3-(phenylmethyl)-4-thiophen-2-yl-butyl]piperidin-1-ium-4-amine

Systemtic Name: 1-methyl-N-[(3S)-3-methyl-3-(phenylmethyl)-4-thiophen-2-yl-butyl]piperidin-1-ium-4-amine Openeye Name: N-[(3S)-3-benzyl-3-methyl-4-(2-thienyl)butyl]-1-methyl-piperidin-1-ium-4-amine CAS Name: 1-methyl-N-[(3S)-3-methyl-3-(phenylmethyl)-4-thiophen-2-ylbutyl]-4-piperidin-1-iumamine IUPAC Name: N-[(3S)-3-benzyl-3-methyl-4-thiophen-2-ylbutyl]-1-methylpiperidin-1-ium-4-amine Traditional Name: [(3S)-3-benzyl-3-methyl-4-(2-thienyl)butyl]-(1-methylpiperidin-1-ium-4-yl)amine Formula: C22H33N2S+ MolecularWeight: 357.57582

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCNC1CC[NH+](CC1)C)(CC2=CC=CC=C2)CC3=CC=CS3

Isomeric SMILES

C[C@@](CCNC1CC[NH+](CC1)C)(CC2=CC=CC=C2)CC3=CC=CS3

InChI

InChI=1S/C22H32N2S/c1-22(18-21-9-6-16-25-21,17-19-7-4-3-5-8-19)12-13-23-20-10-14-24(2)15-11-20/h3-9,16,20,23H,10-15,17-18H2,1-2H3/p+1/t22-/m1/s1