N-(1-adamantylmethyl)-2-azanyl-4-(methoxymethyl)-6-methyl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-(1-adamantylmethyl)-2-azanyl-4-(methoxymethyl)-6-methyl-pyridin-1-ium-3-carboxamide Openeye Name: N-(1-adamantylmethyl)-2-amino-4-(methoxymethyl)-6-methyl-pyridin-1-ium-3-carboxamide CAS Name: N-(1-adamantylmethyl)-2-amino-4-(methoxymethyl)-6-methyl-3-pyridin-1-iumcarboxamide IUPAC Name: N-(1-adamantylmethyl)-2-amino-4-(methoxymethyl)-6-methylpyridin-1-ium-3-carboxamide Traditional Name: N-(1-adamantylmethyl)-2-amino-4-(methoxymethyl)-6-methyl-pyridin-1-ium-3-carboxamide Formula: C20H30N3O2+ MolecularWeight: 344.4711

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C(=C(C(=C1)COC)C(=O)NCC23CC4CC(C2)CC(C4)C3)N

Isomeric SMILES

CC1=[NH+]C(=C(C(=C1)COC)C(=O)NCC23CC4CC(C2)CC(C4)C3)N

InChI

InChI=1S/C20H29N3O2/c1-12-3-16(10-25-2)17(18(21)23-12)19(24)22-11-20-7-13-4-14(8-20)6-15(5-13)9-20/h3,13-15H,4-11H2,1-2H3,(H2,21,23)(H,22,24)/p+1