(3S)-1-[(4-chlorophenyl)methyl]-N-[(2-propylpyrimidin-5-yl)methyl]piperidin-1-ium-3-amine

Systemtic Name: (3S)-1-[(4-chlorophenyl)methyl]-N-[(2-propylpyrimidin-5-yl)methyl]piperidin-1-ium-3-amine Openeye Name: (3S)-1-[(4-chlorophenyl)methyl]-N-[(2-propylpyrimidin-5-yl)methyl]piperidin-1-ium-3-amine CAS Name: (3S)-1-[(4-chlorophenyl)methyl]-N-[(2-propyl-5-pyrimidinyl)methyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-1-[(4-chlorophenyl)methyl]-N-[(2-propylpyrimidin-5-yl)methyl]piperidin-1-ium-3-amine Traditional Name: [(3S)-1-(4-chlorobenzyl)piperidin-1-ium-3-yl]-[(2-propylpyrimidin-5-yl)methyl]amine Formula: C20H28ClN4+ MolecularWeight: 359.91612

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC=C(C=N1)CNC2CCC[NH+](C2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CCCC1=NC=C(C=N1)CN[C@H]2CCC[NH+](C2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H27ClN4/c1-2-4-20-23-12-17(13-24-20)11-22-19-5-3-10-25(15-19)14-16-6-8-18(21)9-7-16/h6-9,12-13,19,22H,2-5,10-11,14-15H2,1H3/p+1/t19-/m0/s1