1-[2-[(5-methylthiophen-2-yl)methyl-phenethyl-amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[(5-methylthiophen-2-yl)methyl-phenethyl-amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[(5-methyl-2-thienyl)methyl-phenethyl-amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[(5-methyl-2-thiophenyl)methyl-phenethylamino]-2-oxoethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[(5-methylthiophen-2-yl)methyl-phenethylamino]-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-keto-2-[(5-methyl-2-thienyl)methyl-phenethyl-amino]ethyl]piperidin-1-ium-4-carboxamide Formula: C22H30N3O2S+ MolecularWeight: 400.5575

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)CN(CCC2=CC=CC=C2)C(=O)C[NH+]3CCC(CC3)C(=O)N

Isomeric SMILES

CC1=CC=C(S1)CN(CCC2=CC=CC=C2)C(=O)C[NH+]3CCC(CC3)C(=O)N

InChI

InChI=1S/C22H29N3O2S/c1-17-7-8-20(28-17)15-25(14-9-18-5-3-2-4-6-18)21(26)16-24-12-10-19(11-13-24)22(23)27/h2-8,19H,9-16H2,1H3,(H2,23,27)/p+1