(2S)-2-[4-(diphenylmethyl)piperazine-1,4-diium-1-yl]-N-prop-2-enyl-propanamide

Systemtic Name: (2S)-2-[4-(diphenylmethyl)piperazine-1,4-diium-1-yl]-N-prop-2-enyl-propanamide Openeye Name: (2S)-N-allyl-2-(4-benzhydrylpiperazine-1,4-diium-1-yl)propanamide CAS Name: (2S)-2-[4-(diphenylmethyl)-1-piperazine-1,4-diiumyl]-N-prop-2-enylpropanamide IUPAC Name: (2S)-2-(4-benzhydrylpiperazine-1,4-diium-1-yl)-N-prop-2-enylpropanamide Traditional Name: (2S)-N-allyl-2-(4-benzhydrylpiperazine-1,4-diium-1-yl)propionamide Formula: C23H31N3O+2 MolecularWeight: 365.51174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC=C)[NH+]1CC[NH+](CC1)C(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NCC=C)[NH+]1CC[NH+](CC1)C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C23H29N3O/c1-3-14-24-23(27)19(2)25-15-17-26(18-16-25)22(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h3-13,19,22H,1,14-18H2,2H3,(H,24,27)/p+2/t19-/m0/s1