(3-chloranyl-4-ethoxy-phenyl)methyl-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium

Systemtic Name: (3-chloranyl-4-ethoxy-phenyl)methyl-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium Openeye Name: (3-chloro-4-ethoxy-phenyl)methyl-[(3S)-1-pyrimidin-2-yl-3-piperidyl]ammonium CAS Name: (3-chloro-4-ethoxyphenyl)methyl-[(3S)-1-(2-pyrimidinyl)-3-piperidinyl]ammonium IUPAC Name: (3-chloro-4-ethoxyphenyl)methyl-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium Traditional Name: (3-chloro-4-ethoxy-benzyl)-[(3S)-1-(2-pyrimidyl)-3-piperidyl]ammonium Formula: C18H24ClN4O+ MolecularWeight: 347.86236

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C[NH2+]C2CCCN(C2)C3=NC=CC=N3)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)C[NH2+][C@H]2CCCN(C2)C3=NC=CC=N3)Cl

InChI

InChI=1S/C18H23ClN4O/c1-2-24-17-7-6-14(11-16(17)19)12-22-15-5-3-10-23(13-15)18-20-8-4-9-21-18/h4,6-9,11,15,22H,2-3,5,10,12-13H2,1H3/p+1/t15-/m0/s1