(2S)-2-[4-[(4-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-N-prop-2-enyl-propanamide

Systemtic Name: (2S)-2-[4-[(4-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-N-prop-2-enyl-propanamide Openeye Name: (2S)-N-allyl-2-[4-(p-tolylmethyl)-1,4-diazepan-4-ium-1-yl]propanamide CAS Name: (2S)-2-[4-[(4-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-N-prop-2-enylpropanamide IUPAC Name: (2S)-2-[4-[(4-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-N-prop-2-enylpropanamide Traditional Name: (2S)-N-allyl-2-[4-(4-methylbenzyl)-1,4-diazepan-4-ium-1-yl]propionamide Formula: C19H30N3O+ MolecularWeight: 316.461

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+]2CCCN(CC2)C(C)C(=O)NCC=C

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2CCCN(CC2)[C@@H](C)C(=O)NCC=C

InChI

InChI=1S/C19H29N3O/c1-4-10-20-19(23)17(3)22-12-5-11-21(13-14-22)15-18-8-6-16(2)7-9-18/h4,6-9,17H,1,5,10-15H2,2-3H3,(H,20,23)/p+1/t17-/m0/s1