(3S)-1-[[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-N-methyl-N-phenethyl-piperidin-1-ium-3-amine

Systemtic Name: (3S)-1-[[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-N-methyl-N-phenethyl-piperidin-1-ium-3-amine Openeye Name: (3S)-1-[[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-N-methyl-N-phenethyl-piperidin-1-ium-3-amine CAS Name: (3S)-1-[[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-N-methyl-N-phenethyl-3-piperidin-1-iumamine IUPAC Name: (3S)-1-[[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-N-methyl-N-phenethylpiperidin-1-ium-3-amine Traditional Name: [(3S)-1-[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)benzyl]piperidin-1-ium-3-yl]-methyl-phenethyl-amine Formula: C25H34N5O+ MolecularWeight: 420.57036

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=C1)C2CCC[NH+](C2)CC3=CC(=C(C=C3)OC)CN4C=NC=N4

Isomeric SMILES

CN(CCC1=CC=CC=C1)[C@H]2CCC[NH+](C2)CC3=CC(=C(C=C3)OC)CN4C=NC=N4

InChI

InChI=1S/C25H33N5O/c1-28(14-12-21-7-4-3-5-8-21)24-9-6-13-29(18-24)16-22-10-11-25(31-2)23(15-22)17-30-20-26-19-27-30/h3-5,7-8,10-11,15,19-20,24H,6,9,12-14,16-18H2,1-2H3/p+1/t24-/m0/s1