(3R)-1-[[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-3-pyrrolidin-1-yl-piperidin-1-ium

Systemtic Name: (3R)-1-[[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-3-pyrrolidin-1-yl-piperidin-1-ium Openeye Name: (3R)-1-[[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-3-pyrrolidin-1-yl-piperidin-1-ium CAS Name: (3R)-1-[[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-3-(1-pyrrolidinyl)piperidin-1-ium IUPAC Name: (3R)-1-[[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-3-pyrrolidin-1-ylpiperidin-1-ium Traditional Name: (3R)-1-[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)benzyl]-3-pyrrolidino-piperidin-1-ium Formula: C20H30N5O+ MolecularWeight: 356.4851

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCCC(C2)N3CCCC3)CN4C=NC=N4

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCC[C@H](C2)N3CCCC3)CN4C=NC=N4

InChI

InChI=1S/C20H29N5O/c1-26-20-7-6-17(11-18(20)13-25-16-21-15-22-25)12-23-8-4-5-19(14-23)24-9-2-3-10-24/h6-7,11,15-16,19H,2-5,8-10,12-14H2,1H3/p+1/t19-/m1/s1