methyl (2S)-2-cycloheptyl-3-(4-methylpiperazin-4-ium-1-yl)-3-oxidanylidene-propanoate

Systemtic Name: methyl (2S)-2-cycloheptyl-3-(4-methylpiperazin-4-ium-1-yl)-3-oxidanylidene-propanoate Openeye Name: methyl (2S)-2-cycloheptyl-3-(4-methylpiperazin-4-ium-1-yl)-3-oxo-propanoate CAS Name: (2S)-2-cycloheptyl-3-(4-methyl-1-piperazin-4-iumyl)-3-oxopropanoic acid methyl ester IUPAC Name: methyl (2S)-2-cycloheptyl-3-(4-methylpiperazin-4-ium-1-yl)-3-oxopropanoate Traditional Name: (2S)-2-cycloheptyl-3-keto-3-(4-methylpiperazin-4-ium-1-yl)propionic acid methyl ester Formula: C16H29N2O3+ MolecularWeight: 297.41306

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C(C2CCCCCC2)C(=O)OC

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)[C@H](C2CCCCCC2)C(=O)OC

InChI

InChI=1S/C16H28N2O3/c1-17-9-11-18(12-10-17)15(19)14(16(20)21-2)13-7-5-3-4-6-8-13/h13-14H,3-12H2,1-2H3/p+1/t14-/m0/s1