(3R,4R)-4-(azepan-1-ium-1-yl)-1-[(Z)-2-chloranyl-3-phenyl-prop-2-enyl]piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[(Z)-2-chloranyl-3-phenyl-prop-2-enyl]piperidin-1-ium-3-ol Openeye Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[(Z)-2-chloro-3-phenyl-allyl]piperidin-1-ium-3-ol CAS Name: (3R,4R)-4-(1-azepan-1-iumyl)-1-[(Z)-2-chloro-3-phenylprop-2-enyl]-3-piperidin-1-iumol IUPAC Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[(Z)-2-chloro-3-phenylprop-2-enyl]piperidin-1-ium-3-ol Traditional Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[(Z)-2-chloro-3-phenyl-allyl]piperidin-1-ium-3-ol Formula: C20H31ClN2O+2 MolecularWeight: 350.92594

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C2CC[NH+](CC2O)CC(=CC3=CC=CC=C3)Cl

Isomeric SMILES

C1CCC[NH+](CC1)[C@@H]2CC[NH+](C[C@H]2O)C/C(=C/C3=CC=CC=C3)/Cl

InChI

InChI=1S/C20H29ClN2O/c21-18(14-17-8-4-3-5-9-17)15-22-13-10-19(20(24)16-22)23-11-6-1-2-7-12-23/h3-5,8-9,14,19-20,24H,1-2,6-7,10-13,15-16H2/p+2/b18-14-/t19-,20-/m1/s1