(3S)-1-[(Z)-2-chloranyl-3-phenyl-prop-2-enyl]-3-pyrrolidin-1-ium-1-yl-piperidine

Systemtic Name: (3S)-1-[(Z)-2-chloranyl-3-phenyl-prop-2-enyl]-3-pyrrolidin-1-ium-1-yl-piperidine Openeye Name: (3S)-1-[(Z)-2-chloro-3-phenyl-allyl]-3-pyrrolidin-1-ium-1-yl-piperidine CAS Name: (3S)-1-[(Z)-2-chloro-3-phenylprop-2-enyl]-3-(1-pyrrolidin-1-iumyl)piperidine IUPAC Name: (3S)-1-[(Z)-2-chloro-3-phenylprop-2-enyl]-3-pyrrolidin-1-ium-1-ylpiperidine Traditional Name: (3S)-1-[(Z)-2-chloro-3-phenyl-allyl]-3-pyrrolidin-1-ium-1-yl-piperidine Formula: C18H26ClN2+ MolecularWeight: 305.86544

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C2CCCN(C2)CC(=CC3=CC=CC=C3)Cl

Isomeric SMILES

C1CC[NH+](C1)[C@H]2CCCN(C2)C/C(=C/C3=CC=CC=C3)/Cl

InChI

InChI=1S/C18H25ClN2/c19-17(13-16-7-2-1-3-8-16)14-20-10-6-9-18(15-20)21-11-4-5-12-21/h1-3,7-8,13,18H,4-6,9-12,14-15H2/p+1/b17-13-/t18-/m0/s1