[1-[(3S)-1-[(Z)-2-chloranyl-3-phenyl-prop-2-enyl]piperidin-3-yl]piperidin-1-ium-4-yl]methanol

Systemtic Name: [1-[(3S)-1-[(Z)-2-chloranyl-3-phenyl-prop-2-enyl]piperidin-3-yl]piperidin-1-ium-4-yl]methanol Openeye Name: [1-[(3S)-1-[(Z)-2-chloro-3-phenyl-allyl]-3-piperidyl]piperidin-1-ium-4-yl]methanol CAS Name: [1-[(3S)-1-[(Z)-2-chloro-3-phenylprop-2-enyl]-3-piperidinyl]-4-piperidin-1-iumyl]methanol IUPAC Name: [1-[(3S)-1-[(Z)-2-chloro-3-phenylprop-2-enyl]piperidin-3-yl]piperidin-1-ium-4-yl]methanol Traditional Name: [1-[(3S)-1-[(Z)-2-chloro-3-phenyl-allyl]-3-piperidyl]piperidin-1-ium-4-yl]methanol Formula: C20H30ClN2O+ MolecularWeight: 349.918

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC(=CC2=CC=CC=C2)Cl)[NH+]3CCC(CC3)CO

Isomeric SMILES

C1C[C@@H](CN(C1)C/C(=C/C2=CC=CC=C2)/Cl)[NH+]3CCC(CC3)CO

InChI

InChI=1S/C20H29ClN2O/c21-19(13-17-5-2-1-3-6-17)14-22-10-4-7-20(15-22)23-11-8-18(16-24)9-12-23/h1-3,5-6,13,18,20,24H,4,7-12,14-16H2/p+1/b19-13-/t20-/m0/s1