[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-[(3S)-piperidin-1-ium-3-yl]methanone

Systemtic Name: [4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-[(3S)-piperidin-1-ium-3-yl]methanone Openeye Name: [4-[(E)-cinnamyl]piperazin-1-yl]-[(3S)-piperidin-1-ium-3-yl]methanone CAS Name: [4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]-[(3S)-3-piperidin-1-iumyl]methanone IUPAC Name: [4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-[(3S)-piperidin-1-ium-3-yl]methanone Traditional Name: [4-[(E)-cinnamyl]piperazino]-[(3S)-piperidin-1-ium-3-yl]methanone Formula: C19H28N3O+ MolecularWeight: 314.44512

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH2+]C1)C(=O)N2CCN(CC2)CC=CC3=CC=CC=C3

Isomeric SMILES

C1C[C@@H](C[NH2+]C1)C(=O)N2CCN(CC2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C19H27N3O/c23-19(18-9-4-10-20-16-18)22-14-12-21(13-15-22)11-5-8-17-6-2-1-3-7-17/h1-3,5-8,18,20H,4,9-16H2/p+1/b8-5+/t18-/m0/s1