(3S)-1-[(E)-2-methyl-3-phenyl-prop-2-enyl]-3-pyrrolidin-1-yl-piperidin-1-ium

Systemtic Name: (3S)-1-[(E)-2-methyl-3-phenyl-prop-2-enyl]-3-pyrrolidin-1-yl-piperidin-1-ium Openeye Name: (3S)-1-[(E)-2-methyl-3-phenyl-allyl]-3-pyrrolidin-1-yl-piperidin-1-ium CAS Name: (3S)-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-(1-pyrrolidinyl)piperidin-1-ium IUPAC Name: (3S)-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-pyrrolidin-1-ylpiperidin-1-ium Traditional Name: (3S)-1-[(E)-2-methyl-3-phenyl-allyl]-3-pyrrolidino-piperidin-1-ium Formula: C19H29N2+ MolecularWeight: 285.44696

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=CC=C1)C[NH+]2CCCC(C2)N3CCCC3

Isomeric SMILES

C/C(=C\C1=CC=CC=C1)/C[NH+]2CCC[C@@H](C2)N3CCCC3

InChI

InChI=1S/C19H28N2/c1-17(14-18-8-3-2-4-9-18)15-20-11-7-10-19(16-20)21-12-5-6-13-21/h2-4,8-9,14,19H,5-7,10-13,15-16H2,1H3/p+1/b17-14+/t19-/m0/s1