1-[2-[4-[(2R)-2-phenylpropyl]piperazin-4-ium-1-yl]ethyl]-N-propan-2-yl-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-[2-[4-[(2R)-2-phenylpropyl]piperazin-4-ium-1-yl]ethyl]-N-propan-2-yl-1,2,3-triazole-4-carboxamide Openeye Name: N-isopropyl-1-[2-[4-[(2R)-2-phenylpropyl]piperazin-4-ium-1-yl]ethyl]triazole-4-carboxamide CAS Name: 1-[2-[4-[(2R)-2-phenylpropyl]-1-piperazin-4-iumyl]ethyl]-N-propan-2-yl-4-triazolecarboxamide IUPAC Name: 1-[2-[4-[(2R)-2-phenylpropyl]piperazin-4-ium-1-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide Traditional Name: N-isopropyl-1-[2-[4-[(2R)-2-phenylpropyl]piperazin-4-ium-1-yl]ethyl]triazole-4-carboxamide Formula: C21H33N6O+ MolecularWeight: 385.52632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=CN(N=N1)CCN2CC[NH+](CC2)CC(C)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](C[NH+]1CCN(CC1)CCN2C=C(N=N2)C(=O)NC(C)C)C3=CC=CC=C3

InChI

InChI=1S/C21H32N6O/c1-17(2)22-21(28)20-16-27(24-23-20)14-13-25-9-11-26(12-10-25)15-18(3)19-7-5-4-6-8-19/h4-8,16-18H,9-15H2,1-3H3,(H,22,28)/p+1/t18-/m0/s1