(4-acetamidophenyl)methyl-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium

Systemtic Name: (4-acetamidophenyl)methyl-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium Openeye Name: (4-acetamidophenyl)methyl-[(3S)-1-pyrimidin-2-yl-3-piperidyl]ammonium CAS Name: (4-acetamidophenyl)methyl-[(3S)-1-(2-pyrimidinyl)-3-piperidinyl]ammonium IUPAC Name: (4-acetamidophenyl)methyl-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium Traditional Name: (4-acetamidobenzyl)-[(3S)-1-(2-pyrimidyl)-3-piperidyl]ammonium Formula: C18H24N5O+ MolecularWeight: 326.41606

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C[NH2+]C2CCCN(C2)C3=NC=CC=N3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C[NH2+][C@H]2CCCN(C2)C3=NC=CC=N3

InChI

InChI=1S/C18H23N5O/c1-14(24)22-16-7-5-15(6-8-16)12-21-17-4-2-11-23(13-17)18-19-9-3-10-20-18/h3,5-10,17,21H,2,4,11-13H2,1H3,(H,22,24)/p+1/t17-/m0/s1