(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium

Systemtic Name: (6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium Openeye Name: (6-methoxyindan-5-yl)methyl-[(3S)-1-pyrimidin-2-yl-3-piperidyl]ammonium CAS Name: (6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl-[(3S)-1-(2-pyrimidinyl)-3-piperidinyl]ammonium IUPAC Name: (6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium Traditional Name: (6-methoxyindan-5-yl)methyl-[(3S)-1-(2-pyrimidyl)-3-piperidyl]ammonium Formula: C20H27N4O+ MolecularWeight: 339.45458

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CCCC2=C1)C[NH2+]C3CCCN(C3)C4=NC=CC=N4

Isomeric SMILES

COC1=C(C=C2CCCC2=C1)C[NH2+][C@H]3CCCN(C3)C4=NC=CC=N4

InChI

InChI=1S/C20H26N4O/c1-25-19-12-16-6-2-5-15(16)11-17(19)13-23-18-7-3-10-24(14-18)20-21-8-4-9-22-20/h4,8-9,11-12,18,23H,2-3,5-7,10,13-14H2,1H3/p+1/t18-/m0/s1