(4S)-4-methyl-5-[2-(4-pyrrolidin-1-ylcarbonylpiperazin-1-ium-1-yl)ethanoyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one

Systemtic Name: (4S)-4-methyl-5-[2-(4-pyrrolidin-1-ylcarbonylpiperazin-1-ium-1-yl)ethanoyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one Openeye Name: (4S)-4-methyl-5-[2-[4-(pyrrolidine-1-carbonyl)piperazin-1-ium-1-yl]acetyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one CAS Name: (4S)-4-methyl-5-[1-oxo-2-[4-[oxo(1-pyrrolidinyl)methyl]-1-piperazin-1-iumyl]ethyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one IUPAC Name: (4S)-4-methyl-5-[2-[4-(pyrrolidine-1-carbonyl)piperazin-1-ium-1-yl]acetyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one Traditional Name: (4S)-4-methyl-5-[2-[4-(pyrrolidine-1-carbonyl)piperazin-1-ium-1-yl]acetyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one Formula: C21H30N5O3+ MolecularWeight: 400.4946

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=CC=CC=C2N1C(=O)C[NH+]3CCN(CC3)C(=O)N4CCCC4

Isomeric SMILES

C[C@H]1CC(=O)NC2=CC=CC=C2N1C(=O)C[NH+]3CCN(CC3)C(=O)N4CCCC4

InChI

InChI=1S/C21H29N5O3/c1-16-14-19(27)22-17-6-2-3-7-18(17)26(16)20(28)15-23-10-12-25(13-11-23)21(29)24-8-4-5-9-24/h2-3,6-7,16H,4-5,8-15H2,1H3,(H,22,27)/p+1/t16-/m0/s1