[2-[(3,4-dimethoxyphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]methylazanium

Systemtic Name: [2-[(3,4-dimethoxyphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]methylazanium Openeye Name: [2-[(3,4-dimethoxyphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]methylammonium CAS Name: [2-[(3,4-dimethoxyphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]methylammonium IUPAC Name: [2-[(3,4-dimethoxyphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]methylazanium Traditional Name: (2-veratryl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)methylammonium Formula: C17H22N3O2+ MolecularWeight: 300.37548

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=NC3=C(CCC3)C(=N2)C[NH3+])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=NC3=C(CCC3)C(=N2)C[NH3+])OC

InChI

InChI=1S/C17H21N3O2/c1-21-15-7-6-11(8-16(15)22-2)9-17-19-13-5-3-4-12(13)14(10-18)20-17/h6-8H,3-5,9-10,18H2,1-2H3/p+1