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

Systemtic Name: methyl-(3-phenylpropyl)-[(1-piperidin-1-ium-4-yl-1,2,3-triazol-4-yl)methyl]azanium Openeye Name: methyl-(3-phenylpropyl)-[(1-piperidin-1-ium-4-yltriazol-4-yl)methyl]ammonium CAS Name: methyl-(3-phenylpropyl)-[[1-(4-piperidin-1-iumyl)-4-triazolyl]methyl]ammonium IUPAC Name: methyl-(3-phenylpropyl)-[(1-piperidin-1-ium-4-yltriazol-4-yl)methyl]azanium Traditional Name: methyl-(3-phenylpropyl)-[(1-piperidin-1-ium-4-yltriazol-4-yl)methyl]ammonium Formula: C18H29N5+2 MolecularWeight: 315.45636

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCC1=CC=CC=C1)CC2=CN(N=N2)C3CC[NH2+]CC3

Isomeric SMILES

C[NH+](CCCC1=CC=CC=C1)CC2=CN(N=N2)C3CC[NH2+]CC3

InChI

InChI=1S/C18H27N5/c1-22(13-5-8-16-6-3-2-4-7-16)14-17-15-23(21-20-17)18-9-11-19-12-10-18/h2-4,6-7,15,18-19H,5,8-14H2,1H3/p+2