(3S)-N-(1,3-benzodioxol-5-yl)-1-[(5-methylthiophen-2-yl)methyl]piperidin-1-ium-3-amine

Systemtic Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-[(5-methylthiophen-2-yl)methyl]piperidin-1-ium-3-amine Openeye Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-[(5-methyl-2-thienyl)methyl]piperidin-1-ium-3-amine CAS Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-[(5-methyl-2-thiophenyl)methyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-[(5-methylthiophen-2-yl)methyl]piperidin-1-ium-3-amine Traditional Name: 1,3-benzodioxol-5-yl-[(3S)-1-[(5-methyl-2-thienyl)methyl]piperidin-1-ium-3-yl]amine Formula: C18H23N2O2S+ MolecularWeight: 331.45242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C[NH+]2CCCC(C2)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=C(S1)C[NH+]2CCC[C@@H](C2)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H22N2O2S/c1-13-4-6-16(23-13)11-20-8-2-3-15(10-20)19-14-5-7-17-18(9-14)22-12-21-17/h4-7,9,15,19H,2-3,8,10-12H2,1H3/p+1/t15-/m0/s1