[(Z,2S)-1-azaniumyl-5-phenyl-pent-4-en-2-yl]-(phenylmethyl)-propan-2-yl-azanium

Systemtic Name: [(Z,2S)-1-azaniumyl-5-phenyl-pent-4-en-2-yl]-(phenylmethyl)-propan-2-yl-azanium Openeye Name: [(Z,1S)-1-(azaniumylmethyl)-4-phenyl-but-3-enyl]-benzyl-isopropyl-ammonium CAS Name: [(Z,2S)-1-ammonio-5-phenylpent-4-en-2-yl]-(phenylmethyl)-propan-2-ylammonium IUPAC Name: [(Z,2S)-1-azaniumyl-5-phenylpent-4-en-2-yl]-benzyl-propan-2-ylazanium Traditional Name: [(Z,1S)-1-(ammoniomethyl)-4-phenyl-but-3-enyl]-benzyl-isopropyl-ammonium Formula: C21H30N2+2 MolecularWeight: 310.4763

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CC1=CC=CC=C1)C(CC=CC2=CC=CC=C2)C[NH3+]

Isomeric SMILES

CC(C)[NH+](CC1=CC=CC=C1)[C@@H](C/C=C\C2=CC=CC=C2)C[NH3+]

InChI

InChI=1S/C21H28N2/c1-18(2)23(17-20-12-7-4-8-13-20)21(16-22)15-9-14-19-10-5-3-6-11-19/h3-14,18,21H,15-17,22H2,1-2H3/p+2/b14-9-/t21-/m0/s1