3-[[(3S)-1-[(Z)-2-chloranyl-3-phenyl-prop-2-enyl]piperidin-3-yl]-methyl-amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[(3S)-1-[(Z)-2-chloranyl-3-phenyl-prop-2-enyl]piperidin-3-yl]-methyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[[(3S)-1-[(Z)-2-chloro-3-phenyl-allyl]-3-piperidyl]-methyl-amino]propyl-dimethyl-ammonium CAS Name: 3-[[(3S)-1-[(Z)-2-chloro-3-phenylprop-2-enyl]-3-piperidinyl]-methylamino]propyl-dimethylammonium IUPAC Name: 3-[[(3S)-1-[(Z)-2-chloro-3-phenylprop-2-enyl]piperidin-3-yl]-methylamino]propyl-dimethylazanium Traditional Name: 3-[[(3S)-1-[(Z)-2-chloro-3-phenyl-allyl]-3-piperidyl]-methyl-amino]propyl-dimethyl-ammonium Formula: C20H33ClN3+ MolecularWeight: 350.94912

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(C)C1CCCN(C1)CC(=CC2=CC=CC=C2)Cl

Isomeric SMILES

C[NH+](C)CCCN(C)[C@H]1CCCN(C1)C/C(=C/C2=CC=CC=C2)/Cl

InChI

InChI=1S/C20H32ClN3/c1-22(2)12-8-13-23(3)20-11-7-14-24(17-20)16-19(21)15-18-9-5-4-6-10-18/h4-6,9-10,15,20H,7-8,11-14,16-17H2,1-3H3/p+1/b19-15-/t20-/m0/s1