N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-4-(1,2,4-triazol-1-yl)butanamide

Systemtic Name: N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-4-(1,2,4-triazol-1-yl)butanamide Openeye Name: N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-4-(1,2,4-triazol-1-yl)butanamide CAS Name: N-methyl-N-[(3S)-1-(3-phenylpropyl)-3-piperidin-1-iumyl]-4-(1,2,4-triazol-1-yl)butanamide IUPAC Name: N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-4-(1,2,4-triazol-1-yl)butanamide Traditional Name: N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-4-(1,2,4-triazol-1-yl)butyramide Formula: C21H32N5O+ MolecularWeight: 370.51168

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC[NH+](C1)CCCC2=CC=CC=C2)C(=O)CCCN3C=NC=N3

Isomeric SMILES

CN([C@H]1CCC[NH+](C1)CCCC2=CC=CC=C2)C(=O)CCCN3C=NC=N3

InChI

InChI=1S/C21H31N5O/c1-24(21(27)12-7-15-26-18-22-17-23-26)20-11-6-14-25(16-20)13-5-10-19-8-3-2-4-9-19/h2-4,8-9,17-18,20H,5-7,10-16H2,1H3/p+1/t20-/m0/s1