(3S)-1-[(4-chlorophenyl)methyl]-N-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-amine

Systemtic Name: (3S)-1-[(4-chlorophenyl)methyl]-N-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-amine Openeye Name: (3S)-1-[(4-chlorophenyl)methyl]-N-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-amine CAS Name: (3S)-1-[(4-chlorophenyl)methyl]-N-[(3-methyl-1-propyl-4-pyrazolyl)methyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-1-[(4-chlorophenyl)methyl]-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-1-ium-3-amine Traditional Name: [(3S)-1-(4-chlorobenzyl)piperidin-1-ium-3-yl]-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]amine Formula: C20H30ClN4+ MolecularWeight: 361.932

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C(=N1)C)CNC2CCC[NH+](C2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CCCN1C=C(C(=N1)C)CN[C@H]2CCC[NH+](C2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H29ClN4/c1-3-10-25-14-18(16(2)23-25)12-22-20-5-4-11-24(15-20)13-17-6-8-19(21)9-7-17/h6-9,14,20,22H,3-5,10-13,15H2,1-2H3/p+1/t20-/m0/s1