6-[4-(cyclopropylmethyl)piperazin-4-ium-1-yl]-N-[(3-propyl-1,2-oxazol-5-yl)methyl]pyridine-3-carboxamide

Systemtic Name: 6-[4-(cyclopropylmethyl)piperazin-4-ium-1-yl]-N-[(3-propyl-1,2-oxazol-5-yl)methyl]pyridine-3-carboxamide Openeye Name: 6-[4-(cyclopropylmethyl)piperazin-4-ium-1-yl]-N-[(3-propylisoxazol-5-yl)methyl]pyridine-3-carboxamide CAS Name: 6-[4-(cyclopropylmethyl)-1-piperazin-4-iumyl]-N-[(3-propyl-5-isoxazolyl)methyl]-3-pyridinecarboxamide IUPAC Name: 6-[4-(cyclopropylmethyl)piperazin-4-ium-1-yl]-N-[(3-propyl-1,2-oxazol-5-yl)methyl]pyridine-3-carboxamide Traditional Name: 6-[4-(cyclopropylmethyl)piperazin-4-ium-1-yl]-N-[(3-propylisoxazol-5-yl)methyl]nicotinamide Formula: C21H30N5O2+ MolecularWeight: 384.4952

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NOC(=C1)CNC(=O)C2=CN=C(C=C2)N3CC[NH+](CC3)CC4CC4

Isomeric SMILES

CCCC1=NOC(=C1)CNC(=O)C2=CN=C(C=C2)N3CC[NH+](CC3)CC4CC4

InChI

InChI=1S/C21H29N5O2/c1-2-3-18-12-19(28-24-18)14-23-21(27)17-6-7-20(22-13-17)26-10-8-25(9-11-26)15-16-4-5-16/h6-7,12-13,16H,2-5,8-11,14-15H2,1H3,(H,23,27)/p+1