N-(1-adamantylcarbamoyl)-3-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]propanamide

Systemtic Name: N-(1-adamantylcarbamoyl)-3-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]propanamide Openeye Name: N-(1-adamantylcarbamoyl)-3-[4-[2-[(2S)-2-methyl-1-piperidyl]-2-oxo-ethyl]piperazin-4-ium-1-yl]propanamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-3-[4-[2-[(2S)-2-methyl-1-piperidinyl]-2-oxoethyl]-1-piperazin-4-iumyl]propanamide IUPAC Name: N-(1-adamantylcarbamoyl)-3-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-4-ium-1-yl]propanamide Traditional Name: N-(1-adamantylcarbamoyl)-3-[4-[2-keto-2-[(2S)-2-methylpiperidino]ethyl]piperazin-4-ium-1-yl]propionamide Formula: C26H44N5O3+ MolecularWeight: 474.65926

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)C[NH+]2CCN(CC2)CCC(=O)NC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C[C@H]1CCCCN1C(=O)C[NH+]2CCN(CC2)CCC(=O)NC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H43N5O3/c1-19-4-2-3-6-31(19)24(33)18-30-10-8-29(9-11-30)7-5-23(32)27-25(34)28-26-15-20-12-21(16-26)14-22(13-20)17-26/h19-22H,2-18H2,1H3,(H2,27,28,32,34)/p+1/t19-,20?,21?,22?,26?/m0/s1