N-cyclopentyl-1-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-1,2,3-triazole-4-carboxamide

Systemtic Name: N-cyclopentyl-1-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-1,2,3-triazole-4-carboxamide Openeye Name: N-cyclopentyl-1-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]triazole-4-carboxamide CAS Name: N-cyclopentyl-1-[(3S)-1-(3-phenylpropyl)-3-piperidin-1-iumyl]-4-triazolecarboxamide IUPAC Name: N-cyclopentyl-1-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]triazole-4-carboxamide Traditional Name: N-cyclopentyl-1-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]triazole-4-carboxamide Formula: C22H32N5O+ MolecularWeight: 382.52238

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)C2=CN(N=N2)C3CCC[NH+](C3)CCCC4=CC=CC=C4

Isomeric SMILES

C1CCC(C1)NC(=O)C2=CN(N=N2)[C@H]3CCC[NH+](C3)CCCC4=CC=CC=C4

InChI

InChI=1S/C22H31N5O/c28-22(23-19-11-4-5-12-19)21-17-27(25-24-21)20-13-7-15-26(16-20)14-6-10-18-8-2-1-3-9-18/h1-3,8-9,17,19-20H,4-7,10-16H2,(H,23,28)/p+1/t20-/m0/s1