N-(3,3-diphenylpropyl)-1-[(3-methylthiophen-2-yl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-(3,3-diphenylpropyl)-1-[(3-methylthiophen-2-yl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-(3,3-diphenylpropyl)-1-[(3-methyl-2-thienyl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-(3,3-diphenylpropyl)-1-[(3-methyl-2-thiophenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(3,3-diphenylpropyl)-1-[(3-methylthiophen-2-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-(3,3-diphenylpropyl)-1-[(3-methyl-2-thienyl)methyl]piperidin-1-ium-4-carboxamide Formula: C27H33N2OS+ MolecularWeight: 433.62872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C[NH+]2CCC(CC2)C(=O)NCCC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(SC=C1)C[NH+]2CCC(CC2)C(=O)NCCC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H32N2OS/c1-21-15-19-31-26(21)20-29-17-13-24(14-18-29)27(30)28-16-12-25(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-11,15,19,24-25H,12-14,16-18,20H2,1H3,(H,28,30)/p+1