[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl-methyl-[(3S)-1-phenethylpiperidin-3-yl]azanium

Systemtic Name: [4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl-methyl-[(3S)-1-phenethylpiperidin-3-yl]azanium Openeye Name: [4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl-methyl-[(3S)-1-phenethyl-3-piperidyl]ammonium CAS Name: [4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl-methyl-[(3S)-1-phenethyl-3-piperidinyl]ammonium IUPAC Name: [4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl-methyl-[(3S)-1-phenethylpiperidin-3-yl]azanium Traditional Name: [4-methoxy-3-(1,2,4-triazol-1-ylmethyl)benzyl]-methyl-[(3S)-1-phenethyl-3-piperidyl]ammonium Formula: C25H34N5O+ MolecularWeight: 420.57036

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC(=C(C=C1)OC)CN2C=NC=N2)C3CCCN(C3)CCC4=CC=CC=C4

Isomeric SMILES

C[NH+](CC1=CC(=C(C=C1)OC)CN2C=NC=N2)[C@H]3CCCN(C3)CCC4=CC=CC=C4

InChI

InChI=1S/C25H33N5O/c1-28(24-9-6-13-29(18-24)14-12-21-7-4-3-5-8-21)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