N,N-diethyl-1-[(3S)-1-[(E)-2-methyl-3-phenyl-prop-2-enyl]piperidin-1-ium-3-yl]-1,2,3-triazole-4-carboxamide

Systemtic Name: N,N-diethyl-1-[(3S)-1-[(E)-2-methyl-3-phenyl-prop-2-enyl]piperidin-1-ium-3-yl]-1,2,3-triazole-4-carboxamide Openeye Name: N,N-diethyl-1-[(3S)-1-[(E)-2-methyl-3-phenyl-allyl]piperidin-1-ium-3-yl]triazole-4-carboxamide CAS Name: N,N-diethyl-1-[(3S)-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-piperidin-1-iumyl]-4-triazolecarboxamide IUPAC Name: N,N-diethyl-1-[(3S)-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-1-ium-3-yl]triazole-4-carboxamide Traditional Name: N,N-diethyl-1-[(3S)-1-[(E)-2-methyl-3-phenyl-allyl]piperidin-1-ium-3-yl]triazole-4-carboxamide Formula: C22H32N5O+ MolecularWeight: 382.52238

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CN(N=N1)C2CCC[NH+](C2)CC(=CC3=CC=CC=C3)C

Isomeric SMILES

CCN(CC)C(=O)C1=CN(N=N1)[C@H]2CCC[NH+](C2)C/C(=C/C3=CC=CC=C3)/C

InChI

InChI=1S/C22H31N5O/c1-4-26(5-2)22(28)21-17-27(24-23-21)20-12-9-13-25(16-20)15-18(3)14-19-10-7-6-8-11-19/h6-8,10-11,14,17,20H,4-5,9,12-13,15-16H2,1-3H3/p+1/b18-14+/t20-/m0/s1